Hydrochloric Acid → 3-((4-(4-chlorophenyl)piperidin-1-yl)methyl)-6a,7,9,10-tetrahydropyrido[3,2-e][1,4]thiazino[4,3-a]pyrazin-6(5H)-one

HRID 682173

Reaction equation

HRID 682173 reaction equation
[C:19]([CH2:20][P+:21]([CH3:22])([CH3:23])[CH3:24])#[N:25].[C:49](#[N:50])[CH2:51][CH3:52].[CH2:26]([N:27]([CH:28]([CH3:29])[CH3:30])[CH:31]([CH3:32])[CH3:33])[CH3:34].[Cl:36][c:37]1[cH:38][cH:39][c:40]([CH:43]2[CH2:44][CH2:45][NH:46][CH2:47][CH2:48]2)[cH:41][cH:42]1.[ClH:35].[I-:18].[OH2:53].[OH:1][CH2:2][c:3]1[cH:4][c:5]2[c:10]([n:11][cH:12]1)[N:9]1[CH:8]([C:7](=[O:17])[NH:6]2)[CH2:16][S:15][CH2:14][CH2:13]1>>[CH2:2]([c:3]1[cH:4][c:5]2[c:10]([n:11][cH:12]1)[N:9]1[CH:8]([C:7](=[O:17])[NH:6]2)[CH2:16][S:15][CH2:14][CH2:13]1)[N:46]1[CH2:45][CH2:44][CH:43]([c:40]2[cH:39][cH:38][c:37]([Cl:36])[cH:42][cH:41]2)[CH2:48][CH2:47]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 7854PropionitrileHCID 30165Iodide IonHCID 81531DiisopropylethylamineHCID 12036134-(4-Chlorophenyl)piperidineHCID 10514345Cyanomethyl(trimethyl)phosphaniumHCID 583244013-(hydroxymethyl)-6a,7,9,10-tetrahydropyrido[3,2-e][1,4]thiazino[4,3-a]pyrazin-6(5H)-one

Product 1

HCID 583244833-((4-(4-chlorophenyl)piperidin-1-yl)methyl)-6a,7,9,10-tetrahydropyrido[3,2-e][1,4]thiazino[4,3-a]pyrazin-6(5H)-one

Sources & evidence

ORD record
ord-f4a87205e4be45fab75b097fc34cf0bb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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